Tert-Butyl Formate

Tert-Butyl Formate

SCHEMBL27761934

CC(C)(C)OC(=O)NCc1nc2ccccc2[nH]1.CC(C)(C)OC=O

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ MAPK10 P53779 2/20 0.51
▸ CACNA1H O95180 1/20 0.51
▸ CACNA1B Q00975 1/20 0.51
▸ CACNA1C Q13936 1/20 0.51
▸ KMT2A Q03164 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ PTPN1 P18031 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6297783 0.93 BCHE (0.65) BCHESMN1; SMN2TSHRMAPK10CACNA1H
SCHEMBL2086623 0.83 BCHE (0.62) BCHESMN1; SMN2TSHRMAPK10KMT2A
SCHEMBL5144365 0.82 BCHE (0.61) BCHESMN1; SMN2TSHRMAPK10KMT2A
SCHEMBL6304380 0.81 BCHE (0.69) BCHESMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL6908821 0.80 SMN1; SMN2 (0.63) SMN1; SMN2TSHRMAPK10KMT2APOLB
SCHEMBL4085766 0.80 CACNA1H (0.54) BCHESMN1; SMN2TSHRMAPK10CACNA1H
SCHEMBL38662207 0.80 CACNA1H (0.54) BCHESMN1; SMN2TSHRMAPK10CACNA1H
SCHEMBL14400729 0.80 CACNA1H (0.51) BCHESMN1; SMN2TSHRMAPK10CACNA1H
SCHEMBL8329416 0.79 BCHE (0.66) BCHESMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL5146214 0.79 BCHE (0.57) BCHESMN1; SMN2TSHRMAPK10KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101438288-A Regulation of phosphoryl transferase activity of glutamine synthetase CSIR CORP (ZA) 2009-05-20 — — CN disclosed
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